Chemical ID: 5107025

CCCOc1ccc(cc1OCC)C=NNC(=O)CC(=O)NCc2ccccc2
Chemical ID:
5107025
Name [?]:
N'-benzyl-N-[(3-ethoxy-4-propoxy-phenyl)methyleneamino]propanediamide
SMILES [?]:
CCCOc1ccc(cc1OCC)C=NNC(=O)CC(=O)NCc2ccccc2
InChi [?]:
InChI=1/C22H27N3O4/c1-3-12-29-19-11-10-18(13-20(19)28-4-2)16-24-25-22(27)14-21(26)23-15-17-8-6-5-7-9-17/h5-11,13,16H,3-4,12,14-15H2,1-2H3,(H,23,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,13,2,12,27,26,28,25,29,7,6,3,9,19,23,14,24,8,5,10,20,17,22,15,16,21,18,11,4/E:(6,7)(8,9)/rA:29nCCCOCCCCCCOCCCNNCOCCONCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s8;w14;s15;s16;d17;s17;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.83764
Area:682.851
Solvation:-9.23365
Coulombic:-50.636
Bond Count [?]
All:30
Single:21
Double:9
Rotors:13
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:397.468
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.32
LogP (Chemaxon):3.18

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Descriptor Annotations

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